CID 155894016

6-oxo-5-azaspiro[3.4]octane-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC2(CC(C2)C(=O)O)NC1=O
InChI
InChI=1S/C8H11NO3/c10-6-1-2-8(9-6)3-5(4-8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
CFNNIVQLDNMREA-UHFFFAOYSA-N
Compound name
6-oxo-5-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.3
[M+Na]+ 192.06312 139.6
[M-H]- 168.06662 136.0
[M+NH4]+ 187.10772 149.3
[M+K]+ 208.03706 140.3
[M+H-H2O]+ 152.07116 125.0
[M+HCOO]- 214.07210 150.9
[M+CH3COO]- 228.08775 174.7
[M+Na-2H]- 190.04857 137.1
[M]+ 169.07335 138.0
[M]- 169.07445 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe